SCHEMBL3432243

SCHEMBL3432243

Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 5/20 1.00
▸ ABL1 P00519 11/20 0.81
▸ KIT P10721 10/20 0.76
▸ DDR2 Q16832 3/20 0.76
▸ FGFR1 P11362 2/20 0.73
▸ PDGFRA P16234 2/20 0.73
▸ FLT3 P36888 2/20 0.73
▸ LRRK2 Q5S007 2/20 0.73
▸ GAK O14976 1/20 0.73
▸ MLNR O43193 1/20 0.73
▸ RIPK2 O43353 1/20 0.73
▸ JAK2 O60674 1/20 0.73
▸ NR1I2 O75469 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ MAP4K4 O95819 1/20 0.73
▸ EGFR P00533 1/20 0.73
▸ NR3C1 P04150 1/20 0.73
▸ ERBB2 P04626 1/20 0.73
▸ NTRK1 P04629 1/20 0.73
▸ LCK P06239 1/20 0.73

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14953298 0.97 DDR1 (0.95) DDR1ABL1KITDDR2FGFR1
SCHEMBL14953354 0.94 DDR1 (0.90) DDR1ABL1KITDDR2FGFR1
SCHEMBL14960097 0.94 DDR1 (0.89) DDR1ABL1KITDDR2FGFR1
SCHEMBL29514812 0.93 DDR1 (0.87) DDR1ABL1KITDDR2FGFR1
SCHEMBL14953211 0.93 DDR1 (0.87) DDR1ABL1KITDDR2FGFR1
SCHEMBL28522521 0.89 DDR1 (0.80) DDR1ABL1KITDDR2FGFR1
SCHEMBL31664731 0.89 DDR1 (0.80) DDR1ABL1KITDDR2FGFR1
SCHEMBL14953320 0.89 DDR1 (0.80) DDR1ABL1KITDDR2FGFR1
SCHEMBL14953329 0.89 DDR1 (0.80) DDR1ABL1KITDDR2FGFR1
SCHEMBL14953193 0.89 DDR1 (0.80) DDR1ABL1KITDDR2FGFR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235426-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2025-07-24 — — US claimed
US-20250099508-A1 SYSTEMS, CELL LINES AND METHODS OF PRODUCING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-03-27 — — US claimed
EP-4460314-A2 SYSTEMS, CELL LINES AND METHODS OF PRODUCING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-11-13 — — EP claimed
WO-2023130150-A2 SYSTEMS, CELL LINES AND METHODS OF PRODUCING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-06 — — WO claimed
EP-3999056-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF Ascentage Pharma (Suzhou) Co., Ltd. (CN) 2022-05-25 — — EP claimed
US-20220142975-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-05-12 — — US claimed
CN-112237579-A Pharmaceutical composition and use thereof 苏州亚盛药业有限公司 2021-01-19 — — CN claimed
EP-2594567-B1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF GUANGZHOU HEALTHQUEST PHARMA CO LTD (CN) 2020-07-29 — — EP claimed
US-8846671-B2 Heterocyclic alkynyl benzene compounds and medical compositions and uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-09-30 — — US claimed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 — — US claimed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 — — EP claimed
EP-3999056-B1 PHARMACEUTICAL COMBINATION AND ITS USE IN THE PREVENTION AND TREATMENT OF CANCER ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2026-05-06 — — EP disclosed
EP-4642465-A1 A CANCER ASSOCIATED FIBROBLAST (CAF) INHIBITOR FOR USE WITH AN ALTERNATING ELECTRIC FIELD IN A METHOD OF TREATING DISEASES SUCH AS CANCER Novocure GmbH (CH) 2025-11-05 — — EP disclosed
US-20250235426-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA GROUP CORP LIMITED (CN) 2025-07-24 — — US disclosed
US-12351822-B2 Stem cell culture systems for columnar epithelial stem cells, and uses related thereto UNIVERSITY OF HOUSTON SYSTEM (US) 2025-07-08 — — US disclosed
CN-101885722-B Heterocycle alkyne and benzene compound, medicinal composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2013-07-24 — — CN disclosed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 — — EP disclosed
EP-2594567-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2013-05-22 — — EP disclosed
WO-2012000304-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF 中国科学院广州生物医药与健康研究院 (CN) 2012-01-05 — — WO disclosed
CN-101885722-A Heterocycle alkyne and benzene compound, medicinal composition and application thereof GUANGZHOU INST BIOMED & HEALTH 2010-11-17 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF ABCB1, VHL, ABCC1 DDR1 1290/4885ABL1 23/4885KIT 165/4885
US-20250099508-A1 SYSTEMS, CELL LINES AND METHODS OF PRODUCING AND USING THE SAME DCX, SLC10A2, CHAT DDR1 3863/4885ABL1 3404/4885KIT 255/4885
US-20250235426-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 DDR1 3071/4885ABL1 640/4885KIT 747/4885
US-20220142975-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 DDR1 3052/4885ABL1 653/4885KIT 813/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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